Crystallography Open Database

Information card for entry 7022104

Preview

Coordinates	7022104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H55.5 Fe4 N4 O2 Zn
Calculated formula	C65 H54 Fe4 N4 O2 Zn
Title of publication	Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.
Authors of publication	Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	4
Pages of publication	1196 - 1209
a	58.224 ± 0.018 Å
b	7.4 ± 0.002 Å
c	27.891 ± 0.009 Å
α	90°
β	110.088 ± 0.005°
γ	90°
Cell volume	11286 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.1088
Weighted residual factors for significantly intense reflections	0.2746
Weighted residual factors for all reflections included in the refinement	0.2887
Goodness-of-fit parameter for all reflections included in the refinement	1.296
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7022104.cif
89977	2013-11-17	cif/ Adding structures of 7022101, 7022102, 7022103, 7022104 via cif-deposit CGI script.	7022104.cif